4-[ethyl(sulfanylcarbamoyl)amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[ethyl(sulfanylcarbamoyl)amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[ethyl(sulfanylcarbamoyl)amino]butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[ethyl-[(mercaptoamino)-oxomethyl]amino]butyl ester IUPAC Name: 4-[ethyl(sulfanylcarbamoyl)amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-[ethyl(mercaptocarbamoyl)amino]butyl ester Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NS

Isomeric SMILES

CCN(CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NS

InChI

InChI=1S/C22H28N4O6S2/c1-3-26(22(29)24-33)14-4-5-15-32-20(27)17-8-10-18(11-9-17)23-21(28)25-34(30,31)19-12-6-16(2)7-13-19/h6-13,33H,3-5,14-15H2,1-2H3,(H,24,29)(H2,23,25,28)